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.gitattributes

@@ -33,3 +33,4 @@ saved_model/**/* filter=lfs diff=lfs merge=lfs -text
 *.zip filter=lfs diff=lfs merge=lfs -text
 *.zst filter=lfs diff=lfs merge=lfs -text
 *tfevents* filter=lfs diff=lfs merge=lfs -text
+generalist/lightning_logs/version_0/predictions.txt filter=lfs diff=lfs merge=lfs -text

generalist/generalist.ckpt

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generalist/lightning_logs/version_0/hparams.yaml

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+filename: stage3_test
+seed: 0
+mode: eval
+strategy_name: deepspeed
+use_3d: true
+accelerator: gpu
+devices: 0,1
+precision: bf16-mixed
+max_steps: 40000
+accumulate_grad_batches: 8
+enable_flash: true
+gin_hidden_dim: 300
+gin_num_layers: 5
+drop_ratio: 0.0
+tune_gnn: false
+bert_hidden_dim: 768
+bert_name: scibert
+cross_attention_freq: 2
+num_query_token: 8
+llm_model: llama-2-hf-7b
+num_beams: 5
+do_sample: false
+max_len: 64
+min_len: 4
+llm_tune: lora
+peft_config: null
+peft_dir: ''
+every_n_train_steps: 5000
+load_in_8bit: false
+lora_r: 8
+lora_alpha: 32
+lora_dropout: 0.1
+weight_decay: 0.05
+init_lr: 1.0e-05
+min_lr: 1.0e-08
+warmup_lr: 1.0e-06
+warmup_steps: 1000
+scheduler: linear_warmup_cosine_lr
+stage2_path: ''
+stage3_path: all_checkpoints/stage3/step=40000.ckpt
+init_checkpoint: ''
+num_workers: 8
+batch_size: 8
+inference_batch_size: 8
+root: data/3d-mol-dataset
+text_max_len: 384
+unimol_encoder_layers: 15
+unimol_encoder_embed_dim: 512
+unimol_encoder_ffn_embed_dim: 2048
+unimol_encoder_attention_heads: 64
+unimol_activation_fn: gelu
+unimol_emb_dropout: 0.1
+unimol_dropout: 0.1
+unimol_attention_dropout: 0.1
+unimol_activation_dropout: 0.0
+unimol_max_seq_len: 512
+unimol_delta_pair_repr_norm_loss: -1.0
+unimol_max_atoms: 256

generalist/lightning_logs/version_0/predictions.txt

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uni-mol/mol_pre_no_h_220816.pt

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